USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 604 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 ASN :FLIP amide:sc= -0.689 F(o=-1.6,f=-1.1) USER MOD Set 1.2: A 73 SER OG : rot 180:sc= -0.431 USER MOD Set 2.1: A 7 SER OG : rot -177:sc= 1.02 USER MOD Set 2.2: A 71 LYS NZ :NH3+ 174:sc= 0.0157 (180deg=0) USER MOD Set 3.1: A 55 ASN : amide:sc= 2.89 K(o=3.5,f=-11!) USER MOD Set 3.2: A 58 THR OG1 : rot 180:sc= -0.399 USER MOD Set 3.3: A 62 TYR OH : rot 30:sc= 0.992 USER MOD Set 4.1: A 32 CYS SG : rot 180:sc= 1.11 USER MOD Set 4.2: A 36 LYS NZ :NH3+ -179:sc= 1.42 (180deg=0) USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 11 TYR OH : rot 180:sc= -1.97! USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0.0285 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 170:sc= 1.31 (180deg=1.12) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 46:sc= 0.248 USER MOD Single : A 28 HIS : no HD1:sc= -1.5 X(o=-1.5,f=-1.8) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0187 USER MOD Single : A 35 LYS NZ :NH3+ -154:sc= 1.23 (180deg=1.11) USER MOD Single : A 37 GLN : amide:sc= -0.0282 X(o=-0.028,f=-0.028) USER MOD Single : A 39 MET CE :methyl 172:sc= -0.996 (180deg=-1.06) USER MOD Single : A 43 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0151) USER MOD Single : A 45 LYS NZ :NH3+ 164:sc= -0.0431 (180deg=-0.27) USER MOD Single : A 49 CYS SG : rot -25:sc= -0.651! USER MOD Single : A 52 GLN :FLIP amide:sc= -0.362 F(o=-3.3!,f=-0.36) USER MOD Single : A 54 THR OG1 : rot 120:sc= -0.0568 USER MOD Single : A 57 GLN :FLIP amide:sc= -0.0967 F(o=-3!,f=-0.097) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0768 USER MOD Single : A 66 ASN : amide:sc= 1.09 K(o=1.1,f=-0.15) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0134 USER MOD ----------------------------------------------------------------- ATOM 78 N SER A 7 -14.627 3.458 -1.969 1.00 0.00 N ATOM 79 CA SER A 7 -13.831 2.321 -1.635 1.00 0.00 C ATOM 80 C SER A 7 -12.530 2.817 -1.080 1.00 0.00 C ATOM 81 O SER A 7 -11.830 3.569 -1.742 1.00 0.00 O ATOM 82 CB SER A 7 -13.593 1.500 -2.880 1.00 0.00 C ATOM 83 OG SER A 7 -14.824 1.020 -3.408 1.00 0.00 O ATOM 0 HA SER A 7 -14.333 1.695 -0.897 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.082 2.105 -3.629 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.939 0.660 -2.648 1.00 0.00 H new ATOM 0 HG SER A 7 -14.647 0.456 -4.189 1.00 0.00 H new ATOM 89 N CYS A 8 -12.224 2.452 0.123 1.00 0.00 N ATOM 90 CA CYS A 8 -11.040 2.939 0.735 1.00 0.00 C ATOM 91 C CYS A 8 -10.316 1.854 1.489 1.00 0.00 C ATOM 92 O CYS A 8 -10.936 0.998 2.118 1.00 0.00 O ATOM 93 CB CYS A 8 -11.369 4.129 1.640 1.00 0.00 C ATOM 94 SG CYS A 8 -12.629 3.791 2.895 1.00 0.00 S ATOM 0 H CYS A 8 -12.780 1.818 0.697 1.00 0.00 H new ATOM 0 HA CYS A 8 -10.364 3.279 -0.050 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -10.456 4.454 2.138 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -11.706 4.959 1.019 1.00 0.00 H new ATOM 0 HG CYS A 8 -12.830 4.860 3.607 1.00 0.00 H new ATOM 100 N VAL A 9 -9.018 1.874 1.394 1.00 0.00 N ATOM 101 CA VAL A 9 -8.188 0.961 2.128 1.00 0.00 C ATOM 102 C VAL A 9 -7.519 1.730 3.239 1.00 0.00 C ATOM 103 O VAL A 9 -6.907 2.789 2.995 1.00 0.00 O ATOM 104 CB VAL A 9 -7.087 0.276 1.240 1.00 0.00 C ATOM 105 CG1 VAL A 9 -6.124 -0.529 2.092 1.00 0.00 C ATOM 106 CG2 VAL A 9 -7.702 -0.642 0.204 1.00 0.00 C ATOM 0 H VAL A 9 -8.503 2.526 0.803 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.825 0.163 2.510 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.548 1.077 0.734 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.373 -0.992 1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.634 0.130 2.809 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.672 -1.304 2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.912 -1.099 -0.392 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.276 -1.422 0.704 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.361 -0.067 -0.446 1.00 0.00 H new ATOM 116 N HIS A 10 -7.704 1.251 4.441 1.00 0.00 N ATOM 117 CA HIS A 10 -7.075 1.800 5.605 1.00 0.00 C ATOM 118 C HIS A 10 -5.678 1.281 5.651 1.00 0.00 C ATOM 119 O HIS A 10 -5.464 0.072 5.779 1.00 0.00 O ATOM 120 CB HIS A 10 -7.811 1.387 6.891 1.00 0.00 C ATOM 121 CG HIS A 10 -9.162 1.997 7.086 1.00 0.00 C ATOM 122 ND1 HIS A 10 -9.453 2.896 8.087 1.00 0.00 N ATOM 123 CD2 HIS A 10 -10.327 1.793 6.421 1.00 0.00 C ATOM 124 CE1 HIS A 10 -10.747 3.201 8.010 1.00 0.00 C ATOM 125 NE2 HIS A 10 -11.328 2.556 7.012 1.00 0.00 N ATOM 0 H HIS A 10 -8.308 0.453 4.638 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.096 2.888 5.546 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -7.918 0.302 6.895 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -7.187 1.649 7.746 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -10.456 1.142 5.569 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -11.255 3.884 8.674 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -12.308 2.608 6.733 1.00 0.00 H new ATOM 133 N TYR A 11 -4.742 2.146 5.511 1.00 0.00 N ATOM 134 CA TYR A 11 -3.380 1.742 5.528 1.00 0.00 C ATOM 135 C TYR A 11 -2.623 2.620 6.484 1.00 0.00 C ATOM 136 O TYR A 11 -2.902 3.818 6.583 1.00 0.00 O ATOM 137 CB TYR A 11 -2.763 1.828 4.110 1.00 0.00 C ATOM 138 CG TYR A 11 -2.491 3.242 3.603 1.00 0.00 C ATOM 139 CD1 TYR A 11 -3.466 3.980 2.952 1.00 0.00 C ATOM 140 CD2 TYR A 11 -1.238 3.833 3.792 1.00 0.00 C ATOM 141 CE1 TYR A 11 -3.194 5.263 2.505 1.00 0.00 C ATOM 142 CE2 TYR A 11 -0.969 5.095 3.355 1.00 0.00 C ATOM 143 CZ TYR A 11 -1.939 5.809 2.716 1.00 0.00 C ATOM 144 OH TYR A 11 -1.662 7.076 2.294 1.00 0.00 O ATOM 0 H TYR A 11 -4.893 3.147 5.382 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.317 0.704 5.855 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.826 1.271 4.105 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -3.433 1.331 3.409 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -4.445 3.552 2.792 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.464 3.275 4.297 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.956 5.834 1.995 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.008 5.528 3.514 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.736 7.302 2.523 1.00 0.00 H new ATOM 154 N LYS A 12 -1.716 2.065 7.214 1.00 0.00 N ATOM 155 CA LYS A 12 -0.886 2.882 8.036 1.00 0.00 C ATOM 156 C LYS A 12 0.547 2.516 7.821 1.00 0.00 C ATOM 157 O LYS A 12 0.892 1.348 7.709 1.00 0.00 O ATOM 158 CB LYS A 12 -1.282 2.886 9.520 1.00 0.00 C ATOM 159 CG LYS A 12 -1.057 1.619 10.295 1.00 0.00 C ATOM 160 CD LYS A 12 -1.461 1.846 11.733 1.00 0.00 C ATOM 161 CE LYS A 12 -1.202 0.633 12.599 1.00 0.00 C ATOM 162 NZ LYS A 12 -1.563 0.883 14.009 1.00 0.00 N ATOM 0 H LYS A 12 -1.531 1.063 7.260 1.00 0.00 H new ATOM 0 HA LYS A 12 -1.037 3.916 7.725 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -0.731 3.686 10.014 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -2.340 3.139 9.586 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -1.640 0.805 9.864 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -0.009 1.325 10.240 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.912 2.699 12.132 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -2.520 2.101 11.775 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.775 -0.213 12.221 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -0.149 0.359 12.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.372 0.030 14.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.998 1.675 14.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.574 1.120 14.072 1.00 0.00 H new ATOM 176 N PHE A 13 1.358 3.509 7.720 1.00 0.00 N ATOM 177 CA PHE A 13 2.751 3.344 7.424 1.00 0.00 C ATOM 178 C PHE A 13 3.492 3.100 8.718 1.00 0.00 C ATOM 179 O PHE A 13 2.943 3.335 9.787 1.00 0.00 O ATOM 180 CB PHE A 13 3.258 4.643 6.796 1.00 0.00 C ATOM 181 CG PHE A 13 4.161 4.470 5.632 1.00 0.00 C ATOM 182 CD1 PHE A 13 5.462 4.049 5.794 1.00 0.00 C ATOM 183 CD2 PHE A 13 3.698 4.734 4.359 1.00 0.00 C ATOM 184 CE1 PHE A 13 6.282 3.884 4.710 1.00 0.00 C ATOM 185 CE2 PHE A 13 4.514 4.577 3.269 1.00 0.00 C ATOM 186 CZ PHE A 13 5.807 4.147 3.442 1.00 0.00 C ATOM 0 H PHE A 13 1.074 4.481 7.842 1.00 0.00 H new ATOM 0 HA PHE A 13 2.907 2.507 6.744 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.399 5.237 6.484 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.782 5.217 7.560 1.00 0.00 H new ATOM 0 HD1 PHE A 13 5.839 3.847 6.786 1.00 0.00 H new ATOM 0 HD2 PHE A 13 2.680 5.068 4.220 1.00 0.00 H new ATOM 0 HE1 PHE A 13 7.299 3.548 4.848 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.142 4.791 2.278 1.00 0.00 H new ATOM 0 HZ PHE A 13 6.452 4.015 2.586 1.00 0.00 H new ATOM 196 N SER A 14 4.718 2.643 8.631 1.00 0.00 N ATOM 197 CA SER A 14 5.580 2.516 9.797 1.00 0.00 C ATOM 198 C SER A 14 5.738 3.909 10.461 1.00 0.00 C ATOM 199 O SER A 14 5.836 4.039 11.676 1.00 0.00 O ATOM 200 CB SER A 14 6.939 2.009 9.322 1.00 0.00 C ATOM 201 OG SER A 14 6.768 0.932 8.404 1.00 0.00 O ATOM 0 H SER A 14 5.152 2.348 7.756 1.00 0.00 H new ATOM 0 HA SER A 14 5.155 1.823 10.523 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.491 2.819 8.845 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.531 1.679 10.176 1.00 0.00 H new ATOM 0 HG SER A 14 7.646 0.615 8.104 1.00 0.00 H new ATOM 207 N SER A 15 5.694 4.930 9.627 1.00 0.00 N ATOM 208 CA SER A 15 5.838 6.309 10.027 1.00 0.00 C ATOM 209 C SER A 15 4.489 6.921 10.515 1.00 0.00 C ATOM 210 O SER A 15 4.474 7.990 11.122 1.00 0.00 O ATOM 211 CB SER A 15 6.315 7.088 8.803 1.00 0.00 C ATOM 212 OG SER A 15 7.365 6.396 8.121 1.00 0.00 O ATOM 0 H SER A 15 5.553 4.815 8.623 1.00 0.00 H new ATOM 0 HA SER A 15 6.544 6.367 10.856 1.00 0.00 H new ATOM 0 HB2 SER A 15 5.479 7.246 8.122 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.666 8.073 9.111 1.00 0.00 H new ATOM 0 HG SER A 15 7.648 6.918 7.341 1.00 0.00 H new ATOM 218 N LYS A 16 3.370 6.245 10.251 1.00 0.00 N ATOM 219 CA LYS A 16 2.051 6.812 10.536 1.00 0.00 C ATOM 220 C LYS A 16 1.318 5.999 11.590 1.00 0.00 C ATOM 221 O LYS A 16 1.160 4.794 11.456 1.00 0.00 O ATOM 222 CB LYS A 16 1.245 6.891 9.234 1.00 0.00 C ATOM 223 CG LYS A 16 1.956 7.731 8.176 1.00 0.00 C ATOM 224 CD LYS A 16 1.269 7.730 6.822 1.00 0.00 C ATOM 225 CE LYS A 16 -0.034 8.512 6.800 1.00 0.00 C ATOM 226 NZ LYS A 16 -0.534 8.692 5.412 1.00 0.00 N ATOM 0 H LYS A 16 3.350 5.310 9.843 1.00 0.00 H new ATOM 0 HA LYS A 16 2.174 7.817 10.940 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.079 5.885 8.848 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.264 7.320 9.439 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.031 8.758 8.533 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.974 7.360 8.056 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.948 8.150 6.079 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.070 6.700 6.526 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.784 7.989 7.394 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.117 9.487 7.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.500 9.076 5.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.087 9.352 4.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.540 7.774 4.923 1.00 0.00 H new ATOM 240 N LEU A 17 0.874 6.666 12.626 1.00 0.00 N ATOM 241 CA LEU A 17 0.209 6.012 13.743 1.00 0.00 C ATOM 242 C LEU A 17 -1.227 5.626 13.408 1.00 0.00 C ATOM 243 O LEU A 17 -1.686 4.532 13.762 1.00 0.00 O ATOM 244 CB LEU A 17 0.230 6.915 14.969 1.00 0.00 C ATOM 245 CG LEU A 17 1.613 7.324 15.477 1.00 0.00 C ATOM 246 CD1 LEU A 17 1.474 8.282 16.633 1.00 0.00 C ATOM 247 CD2 LEU A 17 2.425 6.102 15.893 1.00 0.00 C ATOM 0 H LEU A 17 0.960 7.677 12.726 1.00 0.00 H new ATOM 0 HA LEU A 17 0.757 5.094 13.955 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.333 7.820 14.739 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.297 6.409 15.778 1.00 0.00 H new ATOM 0 HG LEU A 17 2.145 7.821 14.666 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.464 8.569 16.989 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.935 9.171 16.306 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.923 7.800 17.441 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.404 6.420 16.250 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.903 5.572 16.690 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.549 5.439 15.037 1.00 0.00 H new ATOM 259 N ASN A 18 -1.930 6.495 12.723 1.00 0.00 N ATOM 260 CA ASN A 18 -3.316 6.229 12.394 1.00 0.00 C ATOM 261 C ASN A 18 -3.438 5.853 10.943 1.00 0.00 C ATOM 262 O ASN A 18 -2.540 6.150 10.130 1.00 0.00 O ATOM 263 CB ASN A 18 -4.272 7.404 12.756 1.00 0.00 C ATOM 264 CG ASN A 18 -4.003 8.711 12.010 1.00 0.00 C ATOM 265 OD1 ASN A 18 -4.510 8.940 10.905 1.00 0.00 O ATOM 266 ND2 ASN A 18 -3.256 9.596 12.625 1.00 0.00 N ATOM 0 H ASN A 18 -1.572 7.387 12.383 1.00 0.00 H new ATOM 0 HA ASN A 18 -3.635 5.389 13.011 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.297 7.093 12.555 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.201 7.593 13.827 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.079 10.503 12.193 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.852 9.378 13.536 1.00 0.00 H new ATOM 273 N TYR A 19 -4.524 5.198 10.609 1.00 0.00 N ATOM 274 CA TYR A 19 -4.735 4.736 9.266 1.00 0.00 C ATOM 275 C TYR A 19 -5.157 5.837 8.358 1.00 0.00 C ATOM 276 O TYR A 19 -6.003 6.675 8.709 1.00 0.00 O ATOM 277 CB TYR A 19 -5.752 3.608 9.186 1.00 0.00 C ATOM 278 CG TYR A 19 -5.304 2.315 9.816 1.00 0.00 C ATOM 279 CD1 TYR A 19 -4.591 1.389 9.082 1.00 0.00 C ATOM 280 CD2 TYR A 19 -5.591 2.020 11.135 1.00 0.00 C ATOM 281 CE1 TYR A 19 -4.172 0.209 9.635 1.00 0.00 C ATOM 282 CE2 TYR A 19 -5.174 0.836 11.702 1.00 0.00 C ATOM 283 CZ TYR A 19 -4.467 -0.067 10.947 1.00 0.00 C ATOM 284 OH TYR A 19 -4.042 -1.243 11.508 1.00 0.00 O ATOM 0 H TYR A 19 -5.279 4.974 11.258 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.769 4.352 8.939 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.674 3.932 9.669 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -5.989 3.424 8.138 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.359 1.600 8.049 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -6.150 2.727 11.730 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -3.613 -0.500 9.043 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -5.402 0.619 12.735 1.00 0.00 H new ATOM 0 HH TYR A 19 -4.332 -1.283 12.443 1.00 0.00 H new ATOM 294 N ASP A 20 -4.581 5.831 7.208 1.00 0.00 N ATOM 295 CA ASP A 20 -4.913 6.746 6.173 1.00 0.00 C ATOM 296 C ASP A 20 -5.817 5.972 5.244 1.00 0.00 C ATOM 297 O ASP A 20 -5.959 4.753 5.413 1.00 0.00 O ATOM 298 CB ASP A 20 -3.655 7.172 5.446 1.00 0.00 C ATOM 299 CG ASP A 20 -3.789 8.503 4.717 1.00 0.00 C ATOM 300 OD1 ASP A 20 -4.601 8.623 3.782 1.00 0.00 O ATOM 301 OD2 ASP A 20 -3.048 9.451 5.069 1.00 0.00 O ATOM 0 H ASP A 20 -3.846 5.171 6.954 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.393 7.648 6.551 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.837 7.242 6.164 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -3.383 6.400 4.727 1.00 0.00 H new ATOM 306 N THR A 21 -6.387 6.602 4.281 1.00 0.00 N ATOM 307 CA THR A 21 -7.329 5.933 3.433 1.00 0.00 C ATOM 308 C THR A 21 -7.166 6.285 1.964 1.00 0.00 C ATOM 309 O THR A 21 -7.230 7.459 1.579 1.00 0.00 O ATOM 310 CB THR A 21 -8.783 6.192 3.898 1.00 0.00 C ATOM 311 OG1 THR A 21 -8.911 7.523 4.447 1.00 0.00 O ATOM 312 CG2 THR A 21 -9.242 5.160 4.914 1.00 0.00 C ATOM 0 H THR A 21 -6.223 7.583 4.053 1.00 0.00 H new ATOM 0 HA THR A 21 -7.114 4.868 3.525 1.00 0.00 H new ATOM 0 HB THR A 21 -9.425 6.105 3.022 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.836 7.671 4.734 1.00 0.00 H new ATOM 0 HG21 THR A 21 -10.267 5.377 5.215 1.00 0.00 H new ATOM 0 HG22 THR A 21 -9.197 4.166 4.469 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.592 5.196 5.788 1.00 0.00 H new ATOM 320 N VAL A 22 -6.950 5.278 1.148 1.00 0.00 N ATOM 321 CA VAL A 22 -6.899 5.472 -0.284 1.00 0.00 C ATOM 322 C VAL A 22 -8.254 5.199 -0.859 1.00 0.00 C ATOM 323 O VAL A 22 -8.767 4.088 -0.769 1.00 0.00 O ATOM 324 CB VAL A 22 -5.830 4.600 -1.034 1.00 0.00 C ATOM 325 CG1 VAL A 22 -4.447 5.192 -0.906 1.00 0.00 C ATOM 326 CG2 VAL A 22 -5.820 3.162 -0.527 1.00 0.00 C ATOM 0 H VAL A 22 -6.807 4.315 1.452 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.591 6.506 -0.437 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.114 4.595 -2.086 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.732 4.564 -1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.439 6.194 -1.336 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.171 5.247 0.147 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.068 2.590 -1.070 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.585 3.153 0.537 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.801 2.714 -0.685 1.00 0.00 H new ATOM 336 N THR A 23 -8.850 6.224 -1.368 1.00 0.00 N ATOM 337 CA THR A 23 -10.132 6.152 -1.971 1.00 0.00 C ATOM 338 C THR A 23 -9.977 5.809 -3.435 1.00 0.00 C ATOM 339 O THR A 23 -9.473 6.615 -4.224 1.00 0.00 O ATOM 340 CB THR A 23 -10.829 7.488 -1.800 1.00 0.00 C ATOM 341 OG1 THR A 23 -9.871 8.544 -2.051 1.00 0.00 O ATOM 342 CG2 THR A 23 -11.398 7.630 -0.396 1.00 0.00 C ATOM 0 H THR A 23 -8.445 7.160 -1.375 1.00 0.00 H new ATOM 0 HA THR A 23 -10.734 5.376 -1.497 1.00 0.00 H new ATOM 0 HB THR A 23 -11.657 7.552 -2.506 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.369 8.343 -2.868 1.00 0.00 H new ATOM 0 HG21 THR A 23 -11.892 8.597 -0.300 1.00 0.00 H new ATOM 0 HG22 THR A 23 -12.120 6.834 -0.214 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.590 7.562 0.333 1.00 0.00 H new ATOM 350 N PHE A 24 -10.384 4.647 -3.798 1.00 0.00 N ATOM 351 CA PHE A 24 -10.162 4.162 -5.124 1.00 0.00 C ATOM 352 C PHE A 24 -11.469 3.684 -5.709 1.00 0.00 C ATOM 353 O PHE A 24 -12.403 3.351 -4.971 1.00 0.00 O ATOM 354 CB PHE A 24 -9.092 3.034 -5.113 1.00 0.00 C ATOM 355 CG PHE A 24 -9.496 1.781 -4.358 1.00 0.00 C ATOM 356 CD1 PHE A 24 -9.519 1.761 -2.977 1.00 0.00 C ATOM 357 CD2 PHE A 24 -9.853 0.626 -5.037 1.00 0.00 C ATOM 358 CE1 PHE A 24 -9.890 0.638 -2.295 1.00 0.00 C ATOM 359 CE2 PHE A 24 -10.220 -0.502 -4.351 1.00 0.00 C ATOM 360 CZ PHE A 24 -10.240 -0.493 -2.978 1.00 0.00 C ATOM 0 H PHE A 24 -10.882 3.999 -3.188 1.00 0.00 H new ATOM 0 HA PHE A 24 -9.780 4.968 -5.751 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -8.861 2.762 -6.143 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -8.175 3.426 -4.673 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.239 2.648 -2.428 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -9.842 0.615 -6.117 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -9.907 0.643 -1.215 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -10.493 -1.397 -4.890 1.00 0.00 H new ATOM 0 HZ PHE A 24 -10.533 -1.381 -2.437 1.00 0.00 H new ATOM 370 N ASP A 25 -11.570 3.689 -6.995 1.00 0.00 N ATOM 371 CA ASP A 25 -12.762 3.213 -7.636 1.00 0.00 C ATOM 372 C ASP A 25 -12.577 1.776 -8.048 1.00 0.00 C ATOM 373 O ASP A 25 -11.886 1.465 -9.021 1.00 0.00 O ATOM 374 CB ASP A 25 -13.147 4.088 -8.815 1.00 0.00 C ATOM 375 CG ASP A 25 -14.428 3.652 -9.474 1.00 0.00 C ATOM 376 OD1 ASP A 25 -15.520 4.015 -8.980 1.00 0.00 O ATOM 377 OD2 ASP A 25 -14.371 2.944 -10.502 1.00 0.00 O ATOM 0 H ASP A 25 -10.843 4.017 -7.630 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.587 3.267 -6.925 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.251 5.119 -8.477 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.343 4.073 -9.550 1.00 0.00 H new ATOM 382 N GLY A 26 -13.137 0.918 -7.269 1.00 0.00 N ATOM 383 CA GLY A 26 -13.051 -0.503 -7.486 1.00 0.00 C ATOM 384 C GLY A 26 -13.299 -1.215 -6.189 1.00 0.00 C ATOM 385 O GLY A 26 -13.637 -0.568 -5.198 1.00 0.00 O ATOM 0 H GLY A 26 -13.680 1.178 -6.445 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.783 -0.814 -8.231 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.067 -0.765 -7.876 1.00 0.00 H new ATOM 389 N LEU A 27 -13.151 -2.502 -6.165 1.00 0.00 N ATOM 390 CA LEU A 27 -13.360 -3.251 -4.942 1.00 0.00 C ATOM 391 C LEU A 27 -11.991 -3.512 -4.314 1.00 0.00 C ATOM 392 O LEU A 27 -11.790 -3.376 -3.092 1.00 0.00 O ATOM 393 CB LEU A 27 -14.056 -4.587 -5.254 1.00 0.00 C ATOM 394 CG LEU A 27 -15.007 -5.160 -4.179 1.00 0.00 C ATOM 395 CD1 LEU A 27 -15.471 -6.544 -4.574 1.00 0.00 C ATOM 396 CD2 LEU A 27 -14.392 -5.169 -2.784 1.00 0.00 C ATOM 0 H LEU A 27 -12.886 -3.066 -6.972 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.993 -2.688 -4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.624 -4.464 -6.176 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.284 -5.331 -5.452 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.868 -4.494 -4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -16.140 -6.936 -3.808 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.000 -6.493 -5.526 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -14.608 -7.203 -4.673 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.108 -5.582 -2.073 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -13.490 -5.781 -2.788 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -14.138 -4.150 -2.492 1.00 0.00 H new ATOM 408 N HIS A 28 -11.060 -3.864 -5.151 1.00 0.00 N ATOM 409 CA HIS A 28 -9.709 -4.146 -4.742 1.00 0.00 C ATOM 410 C HIS A 28 -8.718 -3.572 -5.685 1.00 0.00 C ATOM 411 O HIS A 28 -8.993 -3.413 -6.876 1.00 0.00 O ATOM 412 CB HIS A 28 -9.429 -5.644 -4.468 1.00 0.00 C ATOM 413 CG HIS A 28 -10.149 -6.638 -5.318 1.00 0.00 C ATOM 414 ND1 HIS A 28 -10.734 -7.763 -4.795 1.00 0.00 N ATOM 415 CD2 HIS A 28 -10.378 -6.675 -6.646 1.00 0.00 C ATOM 416 CE1 HIS A 28 -11.304 -8.436 -5.795 1.00 0.00 C ATOM 417 NE2 HIS A 28 -11.118 -7.816 -6.948 1.00 0.00 N ATOM 0 H HIS A 28 -11.217 -3.966 -6.154 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.593 -3.648 -3.780 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -8.358 -5.814 -4.582 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.675 -5.849 -3.426 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -10.042 -5.939 -7.361 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.845 -9.363 -5.679 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -11.448 -8.112 -7.867 1.00 0.00 H new ATOM 425 N ILE A 29 -7.587 -3.250 -5.158 1.00 0.00 N ATOM 426 CA ILE A 29 -6.557 -2.645 -5.909 1.00 0.00 C ATOM 427 C ILE A 29 -5.289 -3.492 -5.893 1.00 0.00 C ATOM 428 O ILE A 29 -4.858 -3.970 -4.839 1.00 0.00 O ATOM 429 CB ILE A 29 -6.305 -1.176 -5.442 1.00 0.00 C ATOM 430 CG1 ILE A 29 -5.129 -0.570 -6.182 1.00 0.00 C ATOM 431 CG2 ILE A 29 -6.102 -1.089 -3.929 1.00 0.00 C ATOM 432 CD1 ILE A 29 -5.050 0.940 -6.092 1.00 0.00 C ATOM 0 H ILE A 29 -7.354 -3.405 -4.177 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.882 -2.591 -6.948 1.00 0.00 H new ATOM 0 HB ILE A 29 -7.197 -0.598 -5.684 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.207 -0.995 -5.786 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.187 -0.858 -7.232 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.930 -0.051 -3.644 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.991 -1.462 -3.421 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.240 -1.692 -3.642 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.181 1.293 -6.648 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.954 1.378 -6.516 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.958 1.238 -5.048 1.00 0.00 H new ATOM 444 N SER A 30 -4.764 -3.736 -7.077 1.00 0.00 N ATOM 445 CA SER A 30 -3.532 -4.466 -7.282 1.00 0.00 C ATOM 446 C SER A 30 -2.398 -3.786 -6.512 1.00 0.00 C ATOM 447 O SER A 30 -2.342 -2.566 -6.461 1.00 0.00 O ATOM 448 CB SER A 30 -3.214 -4.444 -8.766 1.00 0.00 C ATOM 449 OG SER A 30 -4.356 -4.822 -9.542 1.00 0.00 O ATOM 0 H SER A 30 -5.196 -3.423 -7.946 1.00 0.00 H new ATOM 0 HA SER A 30 -3.637 -5.491 -6.928 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.887 -3.446 -9.057 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.387 -5.123 -8.974 1.00 0.00 H new ATOM 0 HG SER A 30 -4.127 -4.799 -10.494 1.00 0.00 H new ATOM 455 N LEU A 31 -1.516 -4.570 -5.934 1.00 0.00 N ATOM 456 CA LEU A 31 -0.435 -4.077 -5.105 1.00 0.00 C ATOM 457 C LEU A 31 0.452 -3.066 -5.809 1.00 0.00 C ATOM 458 O LEU A 31 0.822 -2.078 -5.207 1.00 0.00 O ATOM 459 CB LEU A 31 0.403 -5.221 -4.522 1.00 0.00 C ATOM 460 CG LEU A 31 1.585 -4.799 -3.648 1.00 0.00 C ATOM 461 CD1 LEU A 31 1.115 -3.982 -2.482 1.00 0.00 C ATOM 462 CD2 LEU A 31 2.341 -5.996 -3.150 1.00 0.00 C ATOM 0 H LEU A 31 -1.528 -5.586 -6.027 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.918 -3.549 -4.282 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.252 -5.862 -3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.782 -5.826 -5.346 1.00 0.00 H new ATOM 0 HG LEU A 31 2.251 -4.194 -4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.971 -3.692 -1.873 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.608 -3.088 -2.845 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.424 -4.572 -1.880 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.176 -5.667 -2.531 1.00 0.00 H new ATOM 0 HD22 LEU A 31 1.677 -6.626 -2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.720 -6.566 -3.998 1.00 0.00 H new ATOM 474 N CYS A 32 0.790 -3.299 -7.074 1.00 0.00 N ATOM 475 CA CYS A 32 1.616 -2.341 -7.805 1.00 0.00 C ATOM 476 C CYS A 32 0.923 -0.986 -7.825 1.00 0.00 C ATOM 477 O CYS A 32 1.509 0.032 -7.474 1.00 0.00 O ATOM 478 CB CYS A 32 1.873 -2.799 -9.244 1.00 0.00 C ATOM 479 SG CYS A 32 3.054 -1.758 -10.133 1.00 0.00 S ATOM 0 H CYS A 32 0.512 -4.124 -7.606 1.00 0.00 H new ATOM 0 HA CYS A 32 2.577 -2.268 -7.296 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.243 -3.824 -9.230 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.928 -2.809 -9.788 1.00 0.00 H new ATOM 0 HG CYS A 32 3.215 -2.216 -11.339 1.00 0.00 H new ATOM 485 N ASP A 33 -0.346 -1.022 -8.122 1.00 0.00 N ATOM 486 CA ASP A 33 -1.188 0.151 -8.206 1.00 0.00 C ATOM 487 C ASP A 33 -1.347 0.789 -6.843 1.00 0.00 C ATOM 488 O ASP A 33 -1.202 1.996 -6.688 1.00 0.00 O ATOM 489 CB ASP A 33 -2.542 -0.268 -8.784 1.00 0.00 C ATOM 490 CG ASP A 33 -2.443 -0.680 -10.232 1.00 0.00 C ATOM 491 OD1 ASP A 33 -1.919 -1.780 -10.523 1.00 0.00 O ATOM 492 OD2 ASP A 33 -2.859 0.103 -11.119 1.00 0.00 O ATOM 0 H ASP A 33 -0.843 -1.891 -8.319 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.731 0.895 -8.858 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.944 -1.096 -8.200 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -3.246 0.559 -8.691 1.00 0.00 H new ATOM 497 N LEU A 34 -1.584 -0.052 -5.862 1.00 0.00 N ATOM 498 CA LEU A 34 -1.752 0.339 -4.466 1.00 0.00 C ATOM 499 C LEU A 34 -0.500 1.054 -3.970 1.00 0.00 C ATOM 500 O LEU A 34 -0.584 2.129 -3.363 1.00 0.00 O ATOM 501 CB LEU A 34 -2.096 -0.947 -3.633 1.00 0.00 C ATOM 502 CG LEU A 34 -2.234 -0.888 -2.082 1.00 0.00 C ATOM 503 CD1 LEU A 34 -0.892 -0.777 -1.392 1.00 0.00 C ATOM 504 CD2 LEU A 34 -3.158 0.229 -1.632 1.00 0.00 C ATOM 0 H LEU A 34 -1.669 -1.058 -6.009 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.573 1.046 -4.351 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.037 -1.337 -4.022 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.327 -1.687 -3.857 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.684 -1.835 -1.784 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.040 -0.739 -0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.280 -1.643 -1.644 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.388 0.131 -1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.223 0.231 -0.544 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.765 1.186 -1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.150 0.073 -2.055 1.00 0.00 H new ATOM 516 N LYS A 35 0.653 0.480 -4.268 1.00 0.00 N ATOM 517 CA LYS A 35 1.906 1.062 -3.872 1.00 0.00 C ATOM 518 C LYS A 35 2.111 2.389 -4.547 1.00 0.00 C ATOM 519 O LYS A 35 2.507 3.329 -3.907 1.00 0.00 O ATOM 520 CB LYS A 35 3.092 0.138 -4.147 1.00 0.00 C ATOM 521 CG LYS A 35 3.085 -1.139 -3.324 1.00 0.00 C ATOM 522 CD LYS A 35 4.341 -1.981 -3.546 1.00 0.00 C ATOM 523 CE LYS A 35 4.557 -2.439 -4.969 1.00 0.00 C ATOM 524 NZ LYS A 35 5.830 -3.194 -5.087 1.00 0.00 N ATOM 0 H LYS A 35 0.738 -0.394 -4.787 1.00 0.00 H new ATOM 0 HA LYS A 35 1.858 1.213 -2.794 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.097 -0.124 -5.205 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.016 0.681 -3.948 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.002 -0.886 -2.267 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.205 -1.729 -3.581 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.209 -1.402 -3.230 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.291 -2.858 -2.901 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.724 -3.068 -5.285 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.576 -1.577 -5.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.187 -3.122 -6.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.532 -2.796 -4.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.664 -4.193 -4.852 1.00 0.00 H new ATOM 538 N LYS A 36 1.786 2.473 -5.829 1.00 0.00 N ATOM 539 CA LYS A 36 1.937 3.722 -6.576 1.00 0.00 C ATOM 540 C LYS A 36 1.074 4.844 -5.996 1.00 0.00 C ATOM 541 O LYS A 36 1.529 6.001 -5.911 1.00 0.00 O ATOM 542 CB LYS A 36 1.667 3.537 -8.077 1.00 0.00 C ATOM 543 CG LYS A 36 2.894 3.179 -8.936 1.00 0.00 C ATOM 544 CD LYS A 36 3.582 1.881 -8.527 1.00 0.00 C ATOM 545 CE LYS A 36 4.711 1.552 -9.490 1.00 0.00 C ATOM 546 NZ LYS A 36 5.348 0.250 -9.213 1.00 0.00 N ATOM 0 H LYS A 36 1.417 1.695 -6.376 1.00 0.00 H new ATOM 0 HA LYS A 36 2.980 4.020 -6.468 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.919 2.753 -8.199 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.230 4.457 -8.465 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.584 3.101 -9.978 1.00 0.00 H new ATOM 0 HG3 LYS A 36 3.615 3.994 -8.878 1.00 0.00 H new ATOM 0 HD2 LYS A 36 3.975 1.974 -7.515 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.858 1.067 -8.514 1.00 0.00 H new ATOM 0 HE2 LYS A 36 4.323 1.550 -10.508 1.00 0.00 H new ATOM 0 HE3 LYS A 36 5.465 2.337 -9.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.120 0.090 -9.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.731 0.250 -8.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.643 -0.508 -9.306 1.00 0.00 H new ATOM 560 N GLN A 37 -0.140 4.501 -5.561 1.00 0.00 N ATOM 561 CA GLN A 37 -1.032 5.476 -4.935 1.00 0.00 C ATOM 562 C GLN A 37 -0.390 6.010 -3.660 1.00 0.00 C ATOM 563 O GLN A 37 -0.315 7.224 -3.438 1.00 0.00 O ATOM 564 CB GLN A 37 -2.392 4.849 -4.574 1.00 0.00 C ATOM 565 CG GLN A 37 -3.159 4.231 -5.733 1.00 0.00 C ATOM 566 CD GLN A 37 -3.412 5.193 -6.872 1.00 0.00 C ATOM 567 OE1 GLN A 37 -2.616 5.294 -7.804 1.00 0.00 O ATOM 568 NE2 GLN A 37 -4.511 5.891 -6.822 1.00 0.00 N ATOM 0 H GLN A 37 -0.526 3.559 -5.631 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.197 6.281 -5.651 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.228 4.080 -3.819 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.016 5.617 -4.117 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.602 3.373 -6.110 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.114 3.855 -5.367 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -5.149 5.782 -6.034 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.733 6.546 -7.571 1.00 0.00 H new ATOM 577 N ILE A 38 0.103 5.095 -2.844 1.00 0.00 N ATOM 578 CA ILE A 38 0.717 5.443 -1.578 1.00 0.00 C ATOM 579 C ILE A 38 2.043 6.178 -1.786 1.00 0.00 C ATOM 580 O ILE A 38 2.299 7.181 -1.142 1.00 0.00 O ATOM 581 CB ILE A 38 0.919 4.194 -0.678 1.00 0.00 C ATOM 582 CG1 ILE A 38 -0.440 3.535 -0.398 1.00 0.00 C ATOM 583 CG2 ILE A 38 1.618 4.567 0.634 1.00 0.00 C ATOM 584 CD1 ILE A 38 -0.357 2.274 0.425 1.00 0.00 C ATOM 0 H ILE A 38 0.088 4.094 -3.041 1.00 0.00 H new ATOM 0 HA ILE A 38 0.032 6.118 -1.064 1.00 0.00 H new ATOM 0 HB ILE A 38 1.559 3.485 -1.203 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -1.079 4.251 0.118 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -0.922 3.305 -1.348 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.747 3.673 1.245 1.00 0.00 H new ATOM 0 HG22 ILE A 38 2.594 5.001 0.416 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.011 5.293 1.176 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -1.359 1.872 0.577 1.00 0.00 H new ATOM 0 HD12 ILE A 38 0.254 1.538 -0.098 1.00 0.00 H new ATOM 0 HD13 ILE A 38 0.094 2.499 1.391 1.00 0.00 H new ATOM 596 N MET A 39 2.849 5.704 -2.721 1.00 0.00 N ATOM 597 CA MET A 39 4.159 6.304 -3.003 1.00 0.00 C ATOM 598 C MET A 39 4.013 7.740 -3.458 1.00 0.00 C ATOM 599 O MET A 39 4.777 8.599 -3.045 1.00 0.00 O ATOM 600 CB MET A 39 4.976 5.523 -4.054 1.00 0.00 C ATOM 601 CG MET A 39 5.400 4.112 -3.663 1.00 0.00 C ATOM 602 SD MET A 39 6.377 3.349 -4.974 1.00 0.00 S ATOM 603 CE MET A 39 6.862 1.810 -4.209 1.00 0.00 C ATOM 0 H MET A 39 2.624 4.899 -3.306 1.00 0.00 H new ATOM 0 HA MET A 39 4.707 6.263 -2.062 1.00 0.00 H new ATOM 0 HB2 MET A 39 4.388 5.463 -4.970 1.00 0.00 H new ATOM 0 HB3 MET A 39 5.872 6.098 -4.288 1.00 0.00 H new ATOM 0 HG2 MET A 39 5.982 4.145 -2.742 1.00 0.00 H new ATOM 0 HG3 MET A 39 4.517 3.505 -3.461 1.00 0.00 H new ATOM 0 HE1 MET A 39 7.349 1.174 -4.948 1.00 0.00 H new ATOM 0 HE2 MET A 39 7.554 2.012 -3.392 1.00 0.00 H new ATOM 0 HE3 MET A 39 5.979 1.303 -3.819 1.00 0.00 H new ATOM 613 N GLY A 40 3.020 7.997 -4.287 1.00 0.00 N ATOM 614 CA GLY A 40 2.790 9.345 -4.761 1.00 0.00 C ATOM 615 C GLY A 40 2.225 10.229 -3.670 1.00 0.00 C ATOM 616 O GLY A 40 2.563 11.407 -3.564 1.00 0.00 O ATOM 0 H GLY A 40 2.367 7.298 -4.642 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.726 9.768 -5.125 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.101 9.322 -5.605 1.00 0.00 H new ATOM 620 N ARG A 41 1.392 9.651 -2.834 1.00 0.00 N ATOM 621 CA ARG A 41 0.754 10.382 -1.753 1.00 0.00 C ATOM 622 C ARG A 41 1.736 10.704 -0.626 1.00 0.00 C ATOM 623 O ARG A 41 1.784 11.829 -0.135 1.00 0.00 O ATOM 624 CB ARG A 41 -0.435 9.601 -1.200 1.00 0.00 C ATOM 625 CG ARG A 41 -1.077 10.267 0.005 1.00 0.00 C ATOM 626 CD ARG A 41 -2.276 9.505 0.518 1.00 0.00 C ATOM 627 NE ARG A 41 -3.362 9.414 -0.464 1.00 0.00 N ATOM 628 CZ ARG A 41 -4.619 9.075 -0.168 1.00 0.00 C ATOM 629 NH1 ARG A 41 -4.960 8.790 1.081 1.00 0.00 N ATOM 630 NH2 ARG A 41 -5.532 9.020 -1.128 1.00 0.00 N ATOM 0 H ARG A 41 1.136 8.665 -2.881 1.00 0.00 H new ATOM 0 HA ARG A 41 0.400 11.325 -2.169 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -1.183 9.485 -1.985 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -0.107 8.599 -0.922 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.339 10.356 0.802 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -1.381 11.279 -0.263 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -1.966 8.499 0.802 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.649 9.990 1.420 1.00 0.00 H new ATOM 0 HE ARG A 41 -3.142 9.624 -1.438 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.260 8.829 1.822 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.922 8.532 1.301 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.273 9.236 -2.091 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.493 8.761 -0.904 1.00 0.00 H new ATOM 644 N GLU A 42 2.530 9.732 -0.253 1.00 0.00 N ATOM 645 CA GLU A 42 3.455 9.860 0.854 1.00 0.00 C ATOM 646 C GLU A 42 4.800 10.343 0.369 1.00 0.00 C ATOM 647 O GLU A 42 5.757 10.392 1.138 1.00 0.00 O ATOM 648 CB GLU A 42 3.634 8.515 1.539 1.00 0.00 C ATOM 649 CG GLU A 42 2.371 7.918 2.122 1.00 0.00 C ATOM 650 CD GLU A 42 1.781 8.782 3.185 1.00 0.00 C ATOM 651 OE1 GLU A 42 2.419 8.974 4.227 1.00 0.00 O ATOM 652 OE2 GLU A 42 0.660 9.262 3.026 1.00 0.00 O ATOM 0 H GLU A 42 2.556 8.821 -0.710 1.00 0.00 H new ATOM 0 HA GLU A 42 3.045 10.584 1.558 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.051 7.811 0.819 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.367 8.626 2.338 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.640 7.771 1.327 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.593 6.935 2.536 1.00 0.00 H new ATOM 659 N LYS A 43 4.847 10.737 -0.902 1.00 0.00 N ATOM 660 CA LYS A 43 6.061 11.176 -1.575 1.00 0.00 C ATOM 661 C LYS A 43 7.267 10.281 -1.328 1.00 0.00 C ATOM 662 O LYS A 43 8.211 10.642 -0.612 1.00 0.00 O ATOM 663 CB LYS A 43 6.397 12.689 -1.480 1.00 0.00 C ATOM 664 CG LYS A 43 6.064 13.386 -0.185 1.00 0.00 C ATOM 665 CD LYS A 43 4.587 13.691 -0.101 1.00 0.00 C ATOM 666 CE LYS A 43 4.266 14.522 1.096 1.00 0.00 C ATOM 667 NZ LYS A 43 4.527 13.824 2.384 1.00 0.00 N ATOM 0 H LYS A 43 4.023 10.759 -1.503 1.00 0.00 H new ATOM 0 HA LYS A 43 5.794 11.046 -2.624 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.464 12.811 -1.665 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.873 13.203 -2.286 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.358 12.759 0.656 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.635 14.311 -0.108 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.271 14.214 -1.003 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.024 12.759 -0.059 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.855 15.439 1.062 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.217 14.815 1.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.237 14.434 3.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.985 12.937 2.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 5.542 13.612 2.465 1.00 0.00 H new ATOM 681 N LEU A 44 7.181 9.075 -1.832 1.00 0.00 N ATOM 682 CA LEU A 44 8.247 8.113 -1.697 1.00 0.00 C ATOM 683 C LEU A 44 9.162 8.139 -2.874 1.00 0.00 C ATOM 684 O LEU A 44 8.734 8.353 -4.013 1.00 0.00 O ATOM 685 CB LEU A 44 7.745 6.675 -1.532 1.00 0.00 C ATOM 686 CG LEU A 44 7.595 6.139 -0.113 1.00 0.00 C ATOM 687 CD1 LEU A 44 6.498 6.846 0.635 1.00 0.00 C ATOM 688 CD2 LEU A 44 7.359 4.644 -0.148 1.00 0.00 C ATOM 0 H LEU A 44 6.370 8.732 -2.347 1.00 0.00 H new ATOM 0 HA LEU A 44 8.776 8.410 -0.792 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.775 6.599 -2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.428 6.017 -2.069 1.00 0.00 H new ATOM 0 HG LEU A 44 8.522 6.334 0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.422 6.436 1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 44 6.725 7.911 0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.552 6.704 0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.253 4.268 0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.449 4.432 -0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.205 4.153 -0.629 1.00 0.00 H new ATOM 700 N LYS A 45 10.404 7.911 -2.601 1.00 0.00 N ATOM 701 CA LYS A 45 11.389 7.770 -3.616 1.00 0.00 C ATOM 702 C LYS A 45 11.467 6.295 -4.043 1.00 0.00 C ATOM 703 O LYS A 45 12.047 5.440 -3.347 1.00 0.00 O ATOM 704 CB LYS A 45 12.734 8.322 -3.128 1.00 0.00 C ATOM 705 CG LYS A 45 13.150 7.827 -1.750 1.00 0.00 C ATOM 706 CD LYS A 45 14.489 8.394 -1.317 1.00 0.00 C ATOM 707 CE LYS A 45 14.422 9.892 -1.055 1.00 0.00 C ATOM 708 NZ LYS A 45 13.472 10.229 0.027 1.00 0.00 N ATOM 0 H LYS A 45 10.766 7.816 -1.652 1.00 0.00 H new ATOM 0 HA LYS A 45 11.115 8.353 -4.495 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.507 8.052 -3.847 1.00 0.00 H new ATOM 0 HB3 LYS A 45 12.682 9.411 -3.110 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.388 8.103 -1.021 1.00 0.00 H new ATOM 0 HG3 LYS A 45 13.204 6.738 -1.758 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.823 7.884 -0.414 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.233 8.195 -2.089 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.414 10.258 -0.791 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.125 10.406 -1.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 13.650 11.199 0.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 12.498 10.159 -0.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.598 9.566 0.819 1.00 0.00 H new ATOM 722 N ALA A 46 10.858 6.001 -5.166 1.00 0.00 N ATOM 723 CA ALA A 46 10.760 4.641 -5.682 1.00 0.00 C ATOM 724 C ALA A 46 12.076 4.201 -6.320 1.00 0.00 C ATOM 725 O ALA A 46 12.304 3.020 -6.559 1.00 0.00 O ATOM 726 CB ALA A 46 9.594 4.526 -6.661 1.00 0.00 C ATOM 0 H ALA A 46 10.410 6.699 -5.759 1.00 0.00 H new ATOM 0 HA ALA A 46 10.564 3.967 -4.848 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.534 3.505 -7.037 1.00 0.00 H new ATOM 0 HB2 ALA A 46 8.665 4.780 -6.151 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.750 5.211 -7.494 1.00 0.00 H new ATOM 732 N ALA A 47 12.952 5.161 -6.559 1.00 0.00 N ATOM 733 CA ALA A 47 14.280 4.887 -7.099 1.00 0.00 C ATOM 734 C ALA A 47 15.256 4.583 -5.959 1.00 0.00 C ATOM 735 O ALA A 47 16.476 4.488 -6.156 1.00 0.00 O ATOM 736 CB ALA A 47 14.773 6.073 -7.921 1.00 0.00 C ATOM 0 H ALA A 47 12.768 6.149 -6.387 1.00 0.00 H new ATOM 0 HA ALA A 47 14.222 4.016 -7.752 1.00 0.00 H new ATOM 0 HB1 ALA A 47 15.765 5.854 -8.317 1.00 0.00 H new ATOM 0 HB2 ALA A 47 14.085 6.255 -8.746 1.00 0.00 H new ATOM 0 HB3 ALA A 47 14.823 6.959 -7.288 1.00 0.00 H new ATOM 742 N ASP A 48 14.711 4.449 -4.770 1.00 0.00 N ATOM 743 CA ASP A 48 15.483 4.133 -3.580 1.00 0.00 C ATOM 744 C ASP A 48 14.853 2.991 -2.829 1.00 0.00 C ATOM 745 O ASP A 48 15.531 2.056 -2.422 1.00 0.00 O ATOM 746 CB ASP A 48 15.561 5.336 -2.656 1.00 0.00 C ATOM 747 CG ASP A 48 16.253 5.037 -1.330 1.00 0.00 C ATOM 748 OD1 ASP A 48 17.493 5.132 -1.262 1.00 0.00 O ATOM 749 OD2 ASP A 48 15.568 4.722 -0.339 1.00 0.00 O ATOM 0 H ASP A 48 13.712 4.556 -4.596 1.00 0.00 H new ATOM 0 HA ASP A 48 16.486 3.853 -3.902 1.00 0.00 H new ATOM 0 HB2 ASP A 48 16.095 6.140 -3.163 1.00 0.00 H new ATOM 0 HB3 ASP A 48 14.552 5.698 -2.457 1.00 0.00 H new ATOM 754 N CYS A 49 13.564 3.041 -2.666 1.00 0.00 N ATOM 755 CA CYS A 49 12.906 2.054 -1.875 1.00 0.00 C ATOM 756 C CYS A 49 11.672 1.492 -2.565 1.00 0.00 C ATOM 757 O CYS A 49 11.214 2.018 -3.589 1.00 0.00 O ATOM 758 CB CYS A 49 12.569 2.652 -0.509 1.00 0.00 C ATOM 759 SG CYS A 49 11.648 4.217 -0.586 1.00 0.00 S ATOM 0 H CYS A 49 12.954 3.752 -3.069 1.00 0.00 H new ATOM 0 HA CYS A 49 13.581 1.209 -1.739 1.00 0.00 H new ATOM 0 HB2 CYS A 49 11.985 1.927 0.058 1.00 0.00 H new ATOM 0 HB3 CYS A 49 13.495 2.815 0.042 1.00 0.00 H new ATOM 0 HG CYS A 49 11.892 4.809 -1.718 1.00 0.00 H new ATOM 765 N ASP A 50 11.168 0.420 -2.015 1.00 0.00 N ATOM 766 CA ASP A 50 9.992 -0.250 -2.505 1.00 0.00 C ATOM 767 C ASP A 50 9.022 -0.289 -1.369 1.00 0.00 C ATOM 768 O ASP A 50 9.376 0.027 -0.219 1.00 0.00 O ATOM 769 CB ASP A 50 10.272 -1.678 -2.950 1.00 0.00 C ATOM 770 CG ASP A 50 9.345 -2.131 -4.079 1.00 0.00 C ATOM 771 OD1 ASP A 50 8.142 -2.401 -3.831 1.00 0.00 O ATOM 772 OD2 ASP A 50 9.809 -2.200 -5.249 1.00 0.00 O ATOM 0 H ASP A 50 11.575 -0.024 -1.192 1.00 0.00 H new ATOM 0 HA ASP A 50 9.613 0.287 -3.375 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.308 -1.756 -3.281 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.158 -2.349 -2.099 1.00 0.00 H new ATOM 777 N LEU A 51 7.849 -0.681 -1.633 1.00 0.00 N ATOM 778 CA LEU A 51 6.852 -0.637 -0.650 1.00 0.00 C ATOM 779 C LEU A 51 6.363 -2.060 -0.383 1.00 0.00 C ATOM 780 O LEU A 51 6.057 -2.804 -1.298 1.00 0.00 O ATOM 781 CB LEU A 51 5.758 0.312 -1.139 1.00 0.00 C ATOM 782 CG LEU A 51 4.827 0.879 -0.116 1.00 0.00 C ATOM 783 CD1 LEU A 51 5.623 1.573 0.961 1.00 0.00 C ATOM 784 CD2 LEU A 51 3.889 1.870 -0.770 1.00 0.00 C ATOM 0 H LEU A 51 7.548 -1.043 -2.538 1.00 0.00 H new ATOM 0 HA LEU A 51 7.216 -0.253 0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.240 1.144 -1.653 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.160 -0.218 -1.881 1.00 0.00 H new ATOM 0 HG LEU A 51 4.244 0.071 0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.944 1.986 1.706 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.292 0.857 1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.209 2.378 0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.213 2.280 -0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.468 2.678 -1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.310 1.367 -1.544 1.00 0.00 H new ATOM 796 N GLN A 52 6.368 -2.457 0.849 1.00 0.00 N ATOM 797 CA GLN A 52 5.947 -3.781 1.217 1.00 0.00 C ATOM 798 C GLN A 52 4.723 -3.668 2.088 1.00 0.00 C ATOM 799 O GLN A 52 4.744 -3.043 3.135 1.00 0.00 O ATOM 800 CB GLN A 52 7.066 -4.504 1.951 1.00 0.00 C ATOM 801 CG GLN A 52 6.923 -6.020 2.020 1.00 0.00 C ATOM 802 CD GLN A 52 7.240 -6.770 0.706 1.00 0.00 C ATOM 803 OE1 GLN A 52 7.074 -6.141 -0.436 1.00 0.00 O flip ATOM 804 NE2 GLN A 52 7.677 -7.922 0.738 1.00 0.00 N flip ATOM 0 H GLN A 52 6.664 -1.876 1.633 1.00 0.00 H new ATOM 0 HA GLN A 52 5.707 -4.359 0.324 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.012 -4.266 1.464 1.00 0.00 H new ATOM 0 HB3 GLN A 52 7.124 -4.114 2.967 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.582 -6.396 2.803 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.903 -6.260 2.320 1.00 0.00 H new ATOM 0 HE21 GLN A 52 7.800 -8.396 1.633 1.00 0.00 H new ATOM 0 HE22 GLN A 52 7.916 -8.401 -0.130 1.00 0.00 H new ATOM 813 N ILE A 53 3.673 -4.253 1.666 1.00 0.00 N ATOM 814 CA ILE A 53 2.424 -4.084 2.340 1.00 0.00 C ATOM 815 C ILE A 53 2.090 -5.355 3.096 1.00 0.00 C ATOM 816 O ILE A 53 2.319 -6.444 2.605 1.00 0.00 O ATOM 817 CB ILE A 53 1.315 -3.727 1.317 1.00 0.00 C ATOM 818 CG1 ILE A 53 1.764 -2.560 0.413 1.00 0.00 C ATOM 819 CG2 ILE A 53 0.000 -3.388 1.995 1.00 0.00 C ATOM 820 CD1 ILE A 53 2.109 -1.268 1.103 1.00 0.00 C ATOM 0 H ILE A 53 3.641 -4.862 0.849 1.00 0.00 H new ATOM 0 HA ILE A 53 2.494 -3.264 3.055 1.00 0.00 H new ATOM 0 HB ILE A 53 1.150 -4.612 0.702 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.635 -2.885 -0.156 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.969 -2.361 -0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -0.747 -3.145 1.239 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.340 -4.244 2.579 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.141 -2.532 2.655 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.409 -0.528 0.361 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.239 -0.903 1.648 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.930 -1.436 1.800 1.00 0.00 H new ATOM 832 N THR A 54 1.653 -5.212 4.299 1.00 0.00 N ATOM 833 CA THR A 54 1.278 -6.322 5.130 1.00 0.00 C ATOM 834 C THR A 54 -0.172 -6.134 5.566 1.00 0.00 C ATOM 835 O THR A 54 -0.619 -5.034 5.679 1.00 0.00 O ATOM 836 CB THR A 54 2.199 -6.350 6.360 1.00 0.00 C ATOM 837 OG1 THR A 54 3.549 -6.312 5.904 1.00 0.00 O ATOM 838 CG2 THR A 54 1.990 -7.606 7.187 1.00 0.00 C ATOM 0 H THR A 54 1.541 -4.304 4.750 1.00 0.00 H new ATOM 0 HA THR A 54 1.374 -7.262 4.586 1.00 0.00 H new ATOM 0 HB THR A 54 1.969 -5.492 6.991 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.993 -5.516 6.263 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.658 -7.590 8.048 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.956 -7.648 7.531 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.205 -8.483 6.577 1.00 0.00 H new ATOM 846 N ASN A 55 -0.894 -7.192 5.749 1.00 0.00 N ATOM 847 CA ASN A 55 -2.267 -7.107 6.211 1.00 0.00 C ATOM 848 C ASN A 55 -2.275 -6.783 7.694 1.00 0.00 C ATOM 849 O ASN A 55 -1.449 -7.299 8.438 1.00 0.00 O ATOM 850 CB ASN A 55 -2.954 -8.428 5.994 1.00 0.00 C ATOM 851 CG ASN A 55 -4.433 -8.343 6.135 1.00 0.00 C ATOM 852 OD1 ASN A 55 -4.964 -8.418 7.213 1.00 0.00 O ATOM 853 ND2 ASN A 55 -5.099 -8.235 5.074 1.00 0.00 N ATOM 0 H ASN A 55 -0.562 -8.143 5.587 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.789 -6.327 5.656 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.710 -8.799 4.999 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.567 -9.154 6.709 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -6.118 -8.209 5.112 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.620 -8.173 4.175 1.00 0.00 H new ATOM 860 N ALA A 56 -3.187 -5.946 8.131 1.00 0.00 N ATOM 861 CA ALA A 56 -3.252 -5.575 9.538 1.00 0.00 C ATOM 862 C ALA A 56 -3.977 -6.635 10.356 1.00 0.00 C ATOM 863 O ALA A 56 -3.748 -6.775 11.546 1.00 0.00 O ATOM 864 CB ALA A 56 -3.939 -4.228 9.705 1.00 0.00 C ATOM 0 H ALA A 56 -3.894 -5.507 7.541 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.229 -5.499 9.907 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.978 -3.968 10.763 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.380 -3.465 9.164 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.952 -4.285 9.308 1.00 0.00 H new ATOM 870 N GLN A 57 -4.819 -7.396 9.706 1.00 0.00 N ATOM 871 CA GLN A 57 -5.635 -8.388 10.382 1.00 0.00 C ATOM 872 C GLN A 57 -4.995 -9.780 10.337 1.00 0.00 C ATOM 873 O GLN A 57 -4.924 -10.467 11.353 1.00 0.00 O ATOM 874 CB GLN A 57 -7.041 -8.432 9.761 1.00 0.00 C ATOM 875 CG GLN A 57 -7.805 -7.102 9.790 1.00 0.00 C ATOM 876 CD GLN A 57 -8.407 -6.710 11.148 1.00 0.00 C ATOM 877 OE1 GLN A 57 -7.847 -7.166 12.244 1.00 0.00 O flip ATOM 878 NE2 GLN A 57 -9.423 -6.012 11.195 1.00 0.00 N flip ATOM 0 H GLN A 57 -4.963 -7.351 8.697 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.711 -8.093 11.429 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -6.954 -8.761 8.726 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.630 -9.184 10.286 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -7.129 -6.309 9.470 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.610 -7.150 9.057 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -9.845 -5.666 10.333 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -9.841 -5.780 12.096 1.00 0.00 H new ATOM 887 N THR A 58 -4.541 -10.196 9.176 1.00 0.00 N ATOM 888 CA THR A 58 -3.978 -11.521 9.029 1.00 0.00 C ATOM 889 C THR A 58 -2.484 -11.474 9.279 1.00 0.00 C ATOM 890 O THR A 58 -1.860 -12.485 9.604 1.00 0.00 O ATOM 891 CB THR A 58 -4.249 -12.082 7.612 1.00 0.00 C ATOM 892 OG1 THR A 58 -3.519 -11.320 6.650 1.00 0.00 O ATOM 893 CG2 THR A 58 -5.722 -11.962 7.275 1.00 0.00 C ATOM 0 H THR A 58 -4.550 -9.639 8.322 1.00 0.00 H new ATOM 0 HA THR A 58 -4.452 -12.178 9.758 1.00 0.00 H new ATOM 0 HB THR A 58 -3.943 -13.128 7.591 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.689 -11.676 5.753 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.900 -12.360 6.276 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.308 -12.526 8.000 1.00 0.00 H new ATOM 0 HG23 THR A 58 -6.018 -10.913 7.306 1.00 0.00 H new ATOM 901 N LYS A 59 -1.926 -10.265 9.129 1.00 0.00 N ATOM 902 CA LYS A 59 -0.500 -9.984 9.299 1.00 0.00 C ATOM 903 C LYS A 59 0.301 -10.681 8.204 1.00 0.00 C ATOM 904 O LYS A 59 1.490 -10.968 8.370 1.00 0.00 O ATOM 905 CB LYS A 59 -0.005 -10.379 10.715 1.00 0.00 C ATOM 906 CG LYS A 59 -0.842 -9.789 11.856 1.00 0.00 C ATOM 907 CD LYS A 59 -0.868 -8.260 11.855 1.00 0.00 C ATOM 908 CE LYS A 59 0.476 -7.648 12.215 1.00 0.00 C ATOM 909 NZ LYS A 59 0.413 -6.173 12.256 1.00 0.00 N ATOM 0 H LYS A 59 -2.469 -9.438 8.880 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.345 -8.909 9.205 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.009 -11.466 10.800 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.029 -10.054 10.831 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.863 -10.163 11.780 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.444 -10.139 12.809 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.170 -7.907 10.869 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.621 -7.913 12.563 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.799 -8.025 13.185 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.224 -7.960 11.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.348 -5.792 12.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.129 -5.812 11.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.283 -5.875 12.969 1.00 0.00 H new ATOM 923 N GLU A 60 -0.350 -10.902 7.074 1.00 0.00 N ATOM 924 CA GLU A 60 0.263 -11.563 5.941 1.00 0.00 C ATOM 925 C GLU A 60 0.874 -10.507 5.028 1.00 0.00 C ATOM 926 O GLU A 60 0.254 -9.463 4.799 1.00 0.00 O ATOM 927 CB GLU A 60 -0.823 -12.332 5.196 1.00 0.00 C ATOM 928 CG GLU A 60 -0.362 -13.154 4.013 1.00 0.00 C ATOM 929 CD GLU A 60 -1.536 -13.715 3.261 1.00 0.00 C ATOM 930 OE1 GLU A 60 -2.098 -14.747 3.678 1.00 0.00 O ATOM 931 OE2 GLU A 60 -1.955 -13.107 2.260 1.00 0.00 O ATOM 0 H GLU A 60 -1.320 -10.627 6.919 1.00 0.00 H new ATOM 0 HA GLU A 60 1.045 -12.250 6.266 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.320 -12.996 5.903 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.571 -11.620 4.848 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.240 -12.535 3.347 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.277 -13.967 4.357 1.00 0.00 H new ATOM 938 N GLU A 61 2.079 -10.741 4.544 1.00 0.00 N ATOM 939 CA GLU A 61 2.705 -9.825 3.647 1.00 0.00 C ATOM 940 C GLU A 61 2.185 -9.993 2.234 1.00 0.00 C ATOM 941 O GLU A 61 1.807 -11.091 1.804 1.00 0.00 O ATOM 942 CB GLU A 61 4.227 -9.980 3.613 1.00 0.00 C ATOM 943 CG GLU A 61 5.030 -9.300 4.725 1.00 0.00 C ATOM 944 CD GLU A 61 4.979 -10.001 6.054 1.00 0.00 C ATOM 945 OE1 GLU A 61 4.877 -11.247 6.073 1.00 0.00 O ATOM 946 OE2 GLU A 61 5.131 -9.328 7.100 1.00 0.00 O ATOM 0 H GLU A 61 2.636 -11.566 4.766 1.00 0.00 H new ATOM 0 HA GLU A 61 2.458 -8.833 4.026 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.458 -11.045 3.634 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.583 -9.596 2.657 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.070 -9.224 4.409 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.660 -8.282 4.852 1.00 0.00 H new ATOM 953 N TYR A 62 2.146 -8.910 1.538 1.00 0.00 N ATOM 954 CA TYR A 62 1.847 -8.898 0.149 1.00 0.00 C ATOM 955 C TYR A 62 3.165 -8.689 -0.543 1.00 0.00 C ATOM 956 O TYR A 62 3.683 -7.573 -0.609 1.00 0.00 O ATOM 957 CB TYR A 62 0.842 -7.793 -0.185 1.00 0.00 C ATOM 958 CG TYR A 62 -0.462 -7.968 0.551 1.00 0.00 C ATOM 959 CD1 TYR A 62 -1.457 -8.767 0.032 1.00 0.00 C ATOM 960 CD2 TYR A 62 -0.681 -7.367 1.779 1.00 0.00 C ATOM 961 CE1 TYR A 62 -2.635 -8.959 0.707 1.00 0.00 C ATOM 962 CE2 TYR A 62 -1.854 -7.563 2.465 1.00 0.00 C ATOM 963 CZ TYR A 62 -2.830 -8.360 1.923 1.00 0.00 C ATOM 964 OH TYR A 62 -3.997 -8.575 2.607 1.00 0.00 O ATOM 0 H TYR A 62 2.326 -7.985 1.929 1.00 0.00 H new ATOM 0 HA TYR A 62 1.378 -9.827 -0.177 1.00 0.00 H new ATOM 0 HB2 TYR A 62 1.273 -6.824 0.068 1.00 0.00 H new ATOM 0 HB3 TYR A 62 0.654 -7.788 -1.259 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -1.307 -9.250 -0.922 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.083 -6.734 2.204 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -3.408 -9.581 0.280 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -2.007 -7.093 3.425 1.00 0.00 H new ATOM 0 HH TYR A 62 -4.344 -9.465 2.390 1.00 0.00 H new ATOM 974 N THR A 63 3.749 -9.774 -0.946 1.00 0.00 N ATOM 975 CA THR A 63 5.073 -9.772 -1.478 1.00 0.00 C ATOM 976 C THR A 63 5.141 -9.346 -2.937 1.00 0.00 C ATOM 977 O THR A 63 5.952 -8.487 -3.298 1.00 0.00 O ATOM 978 CB THR A 63 5.709 -11.156 -1.275 1.00 0.00 C ATOM 979 OG1 THR A 63 4.747 -12.169 -1.629 1.00 0.00 O ATOM 980 CG2 THR A 63 6.130 -11.348 0.174 1.00 0.00 C ATOM 0 H THR A 63 3.314 -10.696 -0.914 1.00 0.00 H new ATOM 0 HA THR A 63 5.640 -9.020 -0.929 1.00 0.00 H new ATOM 0 HB THR A 63 6.594 -11.235 -1.907 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.145 -13.056 -1.504 1.00 0.00 H new ATOM 0 HG21 THR A 63 6.578 -12.334 0.295 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.858 -10.583 0.446 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.257 -11.264 0.821 1.00 0.00 H new ATOM 988 N ASP A 64 4.290 -9.897 -3.768 1.00 0.00 N ATOM 989 CA ASP A 64 4.368 -9.611 -5.191 1.00 0.00 C ATOM 990 C ASP A 64 3.438 -8.499 -5.523 1.00 0.00 C ATOM 991 O ASP A 64 2.357 -8.430 -4.972 1.00 0.00 O ATOM 992 CB ASP A 64 3.969 -10.807 -6.007 1.00 0.00 C ATOM 993 CG ASP A 64 4.600 -10.782 -7.368 1.00 0.00 C ATOM 994 OD1 ASP A 64 5.781 -11.145 -7.493 1.00 0.00 O ATOM 995 OD2 ASP A 64 3.937 -10.373 -8.332 1.00 0.00 O ATOM 0 H ASP A 64 3.544 -10.537 -3.496 1.00 0.00 H new ATOM 0 HA ASP A 64 5.399 -9.343 -5.423 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.263 -11.718 -5.486 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.884 -10.833 -6.109 1.00 0.00 H new ATOM 1000 N ASP A 65 3.806 -7.670 -6.471 1.00 0.00 N ATOM 1001 CA ASP A 65 2.998 -6.503 -6.847 1.00 0.00 C ATOM 1002 C ASP A 65 1.695 -6.896 -7.553 1.00 0.00 C ATOM 1003 O ASP A 65 0.838 -6.044 -7.837 1.00 0.00 O ATOM 1004 CB ASP A 65 3.801 -5.511 -7.676 1.00 0.00 C ATOM 1005 CG ASP A 65 4.190 -6.038 -9.030 1.00 0.00 C ATOM 1006 OD1 ASP A 65 5.016 -6.961 -9.094 1.00 0.00 O ATOM 1007 OD2 ASP A 65 3.722 -5.492 -10.049 1.00 0.00 O ATOM 0 H ASP A 65 4.667 -7.772 -7.009 1.00 0.00 H new ATOM 0 HA ASP A 65 2.715 -6.008 -5.918 1.00 0.00 H new ATOM 0 HB2 ASP A 65 3.217 -4.599 -7.804 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.703 -5.238 -7.128 1.00 0.00 H new ATOM 1012 N ASN A 66 1.547 -8.184 -7.790 1.00 0.00 N ATOM 1013 CA ASN A 66 0.336 -8.757 -8.368 1.00 0.00 C ATOM 1014 C ASN A 66 -0.655 -9.122 -7.292 1.00 0.00 C ATOM 1015 O ASN A 66 -1.790 -9.531 -7.589 1.00 0.00 O ATOM 1016 CB ASN A 66 0.659 -9.990 -9.191 1.00 0.00 C ATOM 1017 CG ASN A 66 1.312 -9.652 -10.495 1.00 0.00 C ATOM 1018 OD1 ASN A 66 0.638 -9.535 -11.526 1.00 0.00 O ATOM 1019 ND2 ASN A 66 2.602 -9.479 -10.473 1.00 0.00 N ATOM 0 H ASN A 66 2.269 -8.875 -7.586 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.105 -8.000 -9.017 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.316 -10.644 -8.618 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -0.258 -10.547 -9.381 1.00 0.00 H new ATOM 0 HD21 ASN A 66 3.099 -9.236 -11.330 1.00 0.00 H new ATOM 0 HD22 ASN A 66 3.116 -9.586 -9.599 1.00 0.00 H new ATOM 1026 N ALA A 67 -0.228 -9.011 -6.043 1.00 0.00 N ATOM 1027 CA ALA A 67 -1.095 -9.251 -4.913 1.00 0.00 C ATOM 1028 C ALA A 67 -2.157 -8.148 -4.877 1.00 0.00 C ATOM 1029 O ALA A 67 -1.918 -7.074 -5.372 1.00 0.00 O ATOM 1030 CB ALA A 67 -0.276 -9.300 -3.633 1.00 0.00 C ATOM 0 H ALA A 67 0.726 -8.753 -5.791 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.597 -10.214 -5.007 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.937 -9.481 -2.785 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.457 -10.104 -3.701 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.240 -8.350 -3.494 1.00 0.00 H new ATOM 1036 N LEU A 68 -3.317 -8.421 -4.381 1.00 0.00 N ATOM 1037 CA LEU A 68 -4.389 -7.439 -4.429 1.00 0.00 C ATOM 1038 C LEU A 68 -4.855 -7.047 -3.030 1.00 0.00 C ATOM 1039 O LEU A 68 -4.938 -7.909 -2.139 1.00 0.00 O ATOM 1040 CB LEU A 68 -5.535 -7.973 -5.290 1.00 0.00 C ATOM 1041 CG LEU A 68 -6.358 -9.108 -4.697 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -7.563 -8.553 -4.000 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -6.743 -10.122 -5.746 1.00 0.00 C ATOM 0 H LEU A 68 -3.563 -9.306 -3.937 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.011 -6.526 -4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.207 -7.145 -5.515 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.119 -8.312 -6.239 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.745 -9.633 -3.964 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -8.148 -9.370 -3.578 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -7.245 -7.884 -3.201 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.174 -8.001 -4.714 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -7.329 -10.917 -5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.336 -9.636 -6.521 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.842 -10.546 -6.190 1.00 0.00 H new ATOM 1055 N ILE A 69 -5.100 -5.771 -2.802 1.00 0.00 N ATOM 1056 CA ILE A 69 -5.637 -5.352 -1.522 1.00 0.00 C ATOM 1057 C ILE A 69 -7.049 -4.761 -1.699 1.00 0.00 C ATOM 1058 O ILE A 69 -7.238 -3.765 -2.397 1.00 0.00 O ATOM 1059 CB ILE A 69 -4.728 -4.337 -0.728 1.00 0.00 C ATOM 1060 CG1 ILE A 69 -3.344 -4.926 -0.395 1.00 0.00 C ATOM 1061 CG2 ILE A 69 -5.414 -3.883 0.561 1.00 0.00 C ATOM 1062 CD1 ILE A 69 -2.347 -4.906 -1.528 1.00 0.00 C ATOM 0 H ILE A 69 -4.940 -5.019 -3.472 1.00 0.00 H new ATOM 0 HA ILE A 69 -5.674 -6.257 -0.916 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.579 -3.478 -1.382 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.925 -4.374 0.446 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.475 -5.957 -0.066 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.767 -3.184 1.091 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.357 -3.393 0.318 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.608 -4.749 1.194 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.406 -5.342 -1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.736 -5.485 -2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.178 -3.877 -1.845 1.00 0.00 H new ATOM 1074 N PRO A 70 -8.057 -5.421 -1.132 1.00 0.00 N ATOM 1075 CA PRO A 70 -9.439 -4.941 -1.151 1.00 0.00 C ATOM 1076 C PRO A 70 -9.720 -3.875 -0.094 1.00 0.00 C ATOM 1077 O PRO A 70 -9.086 -3.842 0.965 1.00 0.00 O ATOM 1078 CB PRO A 70 -10.237 -6.200 -0.847 1.00 0.00 C ATOM 1079 CG PRO A 70 -9.327 -7.008 0.013 1.00 0.00 C ATOM 1080 CD PRO A 70 -7.939 -6.728 -0.465 1.00 0.00 C ATOM 0 HA PRO A 70 -9.686 -4.462 -2.098 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -11.169 -5.967 -0.332 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -10.502 -6.734 -1.759 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.439 -6.735 1.062 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -9.559 -8.070 -0.066 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -7.230 -6.693 0.362 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -7.589 -7.498 -1.152 1.00 0.00 H new ATOM 1088 N LYS A 71 -10.715 -3.031 -0.374 1.00 0.00 N ATOM 1089 CA LYS A 71 -11.127 -1.953 0.539 1.00 0.00 C ATOM 1090 C LYS A 71 -11.568 -2.473 1.900 1.00 0.00 C ATOM 1091 O LYS A 71 -11.500 -1.768 2.893 1.00 0.00 O ATOM 1092 CB LYS A 71 -12.246 -1.096 -0.063 1.00 0.00 C ATOM 1093 CG LYS A 71 -13.411 -1.886 -0.609 1.00 0.00 C ATOM 1094 CD LYS A 71 -14.610 -1.003 -0.839 1.00 0.00 C ATOM 1095 CE LYS A 71 -15.770 -1.748 -1.457 1.00 0.00 C ATOM 1096 NZ LYS A 71 -16.896 -0.841 -1.715 1.00 0.00 N ATOM 0 H LYS A 71 -11.259 -3.072 -1.236 1.00 0.00 H new ATOM 0 HA LYS A 71 -10.240 -1.336 0.682 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.613 -0.411 0.701 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.829 -0.486 -0.864 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.123 -2.363 -1.546 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.672 -2.683 0.088 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.925 -0.570 0.110 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.327 -0.175 -1.489 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.453 -2.215 -2.389 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.089 -2.550 -0.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.641 -1.351 -2.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -17.276 -0.494 -0.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -16.569 -0.035 -2.286 1.00 0.00 H new ATOM 1110 N ASN A 72 -12.010 -3.704 1.947 1.00 0.00 N ATOM 1111 CA ASN A 72 -12.459 -4.305 3.202 1.00 0.00 C ATOM 1112 C ASN A 72 -11.297 -4.712 4.097 1.00 0.00 C ATOM 1113 O ASN A 72 -11.510 -5.145 5.213 1.00 0.00 O ATOM 1114 CB ASN A 72 -13.349 -5.535 2.971 1.00 0.00 C ATOM 1115 CG ASN A 72 -12.705 -6.583 2.084 1.00 0.00 C ATOM 1116 OD1 ASN A 72 -13.085 -6.607 0.828 1.00 0.00 O flip ATOM 1117 ND2 ASN A 72 -11.897 -7.395 2.538 1.00 0.00 N flip ATOM 0 H ASN A 72 -12.073 -4.320 1.136 1.00 0.00 H new ATOM 0 HA ASN A 72 -13.039 -3.528 3.699 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.593 -5.984 3.934 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -14.289 -5.215 2.521 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.623 -7.348 3.519 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -11.502 -8.114 1.932 1.00 0.00 H new ATOM 1124 N SER A 73 -10.087 -4.593 3.622 1.00 0.00 N ATOM 1125 CA SER A 73 -8.956 -5.005 4.402 1.00 0.00 C ATOM 1126 C SER A 73 -8.053 -3.823 4.741 1.00 0.00 C ATOM 1127 O SER A 73 -7.794 -2.965 3.891 1.00 0.00 O ATOM 1128 CB SER A 73 -8.199 -6.076 3.640 1.00 0.00 C ATOM 1129 OG SER A 73 -9.072 -7.171 3.342 1.00 0.00 O ATOM 0 H SER A 73 -9.861 -4.215 2.702 1.00 0.00 H new ATOM 0 HA SER A 73 -9.304 -5.415 5.350 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.794 -5.661 2.717 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.352 -6.425 4.231 1.00 0.00 H new ATOM 0 HG SER A 73 -8.578 -7.858 2.848 1.00 0.00 H new ATOM 1135 N SER A 74 -7.649 -3.739 5.990 1.00 0.00 N ATOM 1136 CA SER A 74 -6.715 -2.739 6.424 1.00 0.00 C ATOM 1137 C SER A 74 -5.324 -3.324 6.305 1.00 0.00 C ATOM 1138 O SER A 74 -5.101 -4.501 6.648 1.00 0.00 O ATOM 1139 CB SER A 74 -6.991 -2.343 7.875 1.00 0.00 C ATOM 1140 OG SER A 74 -8.334 -1.916 8.043 1.00 0.00 O ATOM 0 H SER A 74 -7.963 -4.367 6.730 1.00 0.00 H new ATOM 0 HA SER A 74 -6.810 -1.845 5.808 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.791 -3.191 8.531 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.312 -1.543 8.172 1.00 0.00 H new ATOM 0 HG SER A 74 -8.484 -1.670 8.980 1.00 0.00 H new ATOM 1146 N VAL A 75 -4.410 -2.556 5.812 1.00 0.00 N ATOM 1147 CA VAL A 75 -3.073 -3.020 5.613 1.00 0.00 C ATOM 1148 C VAL A 75 -2.041 -2.080 6.250 1.00 0.00 C ATOM 1149 O VAL A 75 -2.294 -0.893 6.457 1.00 0.00 O ATOM 1150 CB VAL A 75 -2.753 -3.274 4.102 1.00 0.00 C ATOM 1151 CG1 VAL A 75 -3.506 -4.490 3.588 1.00 0.00 C ATOM 1152 CG2 VAL A 75 -3.108 -2.074 3.237 1.00 0.00 C ATOM 0 H VAL A 75 -4.567 -1.587 5.535 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.000 -3.981 6.122 1.00 0.00 H new ATOM 0 HB VAL A 75 -1.679 -3.448 4.035 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.268 -4.647 2.536 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.212 -5.369 4.162 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -4.578 -4.327 3.697 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.870 -2.293 2.196 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.173 -1.862 3.329 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.535 -1.207 3.566 1.00 0.00 H new ATOM 1162 N ILE A 76 -0.918 -2.633 6.582 1.00 0.00 N ATOM 1163 CA ILE A 76 0.183 -1.925 7.166 1.00 0.00 C ATOM 1164 C ILE A 76 1.196 -1.722 6.061 1.00 0.00 C ATOM 1165 O ILE A 76 1.488 -2.651 5.294 1.00 0.00 O ATOM 1166 CB ILE A 76 0.845 -2.738 8.320 1.00 0.00 C ATOM 1167 CG1 ILE A 76 -0.202 -3.188 9.360 1.00 0.00 C ATOM 1168 CG2 ILE A 76 1.947 -1.921 9.000 1.00 0.00 C ATOM 1169 CD1 ILE A 76 -0.925 -2.056 10.061 1.00 0.00 C ATOM 0 H ILE A 76 -0.733 -3.627 6.450 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.165 -0.984 7.591 1.00 0.00 H new ATOM 0 HB ILE A 76 1.292 -3.629 7.879 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.939 -3.820 8.864 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.293 -3.805 10.110 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.394 -2.509 9.802 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.713 -1.663 8.268 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.520 -1.008 9.415 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.641 -2.467 10.773 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.202 -1.435 10.590 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.453 -1.450 9.325 1.00 0.00 H new ATOM 1181 N VAL A 77 1.700 -0.548 5.960 1.00 0.00 N ATOM 1182 CA VAL A 77 2.592 -0.199 4.906 1.00 0.00 C ATOM 1183 C VAL A 77 4.016 -0.089 5.433 1.00 0.00 C ATOM 1184 O VAL A 77 4.353 0.834 6.189 1.00 0.00 O ATOM 1185 CB VAL A 77 2.153 1.122 4.264 1.00 0.00 C ATOM 1186 CG1 VAL A 77 3.030 1.481 3.110 1.00 0.00 C ATOM 1187 CG2 VAL A 77 0.715 1.030 3.823 1.00 0.00 C ATOM 0 H VAL A 77 1.505 0.211 6.613 1.00 0.00 H new ATOM 0 HA VAL A 77 2.566 -0.982 4.148 1.00 0.00 H new ATOM 0 HB VAL A 77 2.246 1.910 5.011 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.693 2.422 2.676 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.059 1.588 3.454 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.979 0.695 2.356 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.413 1.973 3.368 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.608 0.226 3.095 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.082 0.824 4.686 1.00 0.00 H new ATOM 1197 N ARG A 78 4.822 -1.024 5.040 1.00 0.00 N ATOM 1198 CA ARG A 78 6.178 -1.129 5.467 1.00 0.00 C ATOM 1199 C ARG A 78 7.066 -0.756 4.285 1.00 0.00 C ATOM 1200 O ARG A 78 6.840 -1.196 3.170 1.00 0.00 O ATOM 1201 CB ARG A 78 6.416 -2.583 5.889 1.00 0.00 C ATOM 1202 CG ARG A 78 7.756 -2.888 6.518 1.00 0.00 C ATOM 1203 CD ARG A 78 7.847 -4.366 6.866 1.00 0.00 C ATOM 1204 NE ARG A 78 6.752 -4.805 7.756 1.00 0.00 N ATOM 1205 CZ ARG A 78 6.185 -6.034 7.745 1.00 0.00 C ATOM 1206 NH1 ARG A 78 6.621 -6.980 6.912 1.00 0.00 N ATOM 1207 NH2 ARG A 78 5.193 -6.313 8.575 1.00 0.00 N ATOM 0 H ARG A 78 4.543 -1.760 4.391 1.00 0.00 H new ATOM 0 HA ARG A 78 6.402 -0.468 6.305 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.635 -2.867 6.594 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.298 -3.218 5.011 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.558 -2.618 5.831 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.890 -2.286 7.417 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.824 -4.954 5.949 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.804 -4.565 7.348 1.00 0.00 H new ATOM 0 HE ARG A 78 6.396 -4.129 8.431 1.00 0.00 H new ATOM 0 HH11 ARG A 78 7.391 -6.781 6.273 1.00 0.00 H new ATOM 0 HH12 ARG A 78 6.185 -7.902 6.914 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.855 -5.602 9.223 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.766 -7.239 8.566 1.00 0.00 H new ATOM 1221 N ARG A 79 8.026 0.064 4.499 1.00 0.00 N ATOM 1222 CA ARG A 79 8.894 0.459 3.420 1.00 0.00 C ATOM 1223 C ARG A 79 10.135 -0.421 3.440 1.00 0.00 C ATOM 1224 O ARG A 79 10.752 -0.596 4.499 1.00 0.00 O ATOM 1225 CB ARG A 79 9.251 1.935 3.550 1.00 0.00 C ATOM 1226 CG ARG A 79 10.003 2.495 2.370 1.00 0.00 C ATOM 1227 CD ARG A 79 10.278 3.981 2.539 1.00 0.00 C ATOM 1228 NE ARG A 79 11.179 4.266 3.662 1.00 0.00 N ATOM 1229 CZ ARG A 79 12.436 4.731 3.525 1.00 0.00 C ATOM 1230 NH1 ARG A 79 12.979 4.849 2.312 1.00 0.00 N ATOM 1231 NH2 ARG A 79 13.149 5.056 4.593 1.00 0.00 N ATOM 0 H ARG A 79 8.242 0.482 5.404 1.00 0.00 H new ATOM 0 HA ARG A 79 8.389 0.328 2.463 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.334 2.508 3.688 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.852 2.074 4.449 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.946 1.961 2.251 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.427 2.332 1.459 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.714 4.372 1.620 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.335 4.506 2.693 1.00 0.00 H new ATOM 0 HE ARG A 79 10.831 4.101 4.607 1.00 0.00 H new ATOM 0 HH11 ARG A 79 12.442 4.587 1.485 1.00 0.00 H new ATOM 0 HH12 ARG A 79 13.931 5.201 2.211 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.747 4.955 5.525 1.00 0.00 H new ATOM 0 HH22 ARG A 79 14.100 5.408 4.484 1.00 0.00 H new ATOM 1245 N ILE A 80 10.483 -0.993 2.300 1.00 0.00 N ATOM 1246 CA ILE A 80 11.623 -1.895 2.204 1.00 0.00 C ATOM 1247 C ILE A 80 12.569 -1.432 1.089 1.00 0.00 C ATOM 1248 O ILE A 80 12.153 -0.692 0.209 1.00 0.00 O ATOM 1249 CB ILE A 80 11.172 -3.410 2.022 1.00 0.00 C ATOM 1250 CG1 ILE A 80 10.353 -3.679 0.739 1.00 0.00 C ATOM 1251 CG2 ILE A 80 10.406 -3.910 3.233 1.00 0.00 C ATOM 1252 CD1 ILE A 80 11.193 -3.982 -0.488 1.00 0.00 C ATOM 0 H ILE A 80 9.989 -0.848 1.420 1.00 0.00 H new ATOM 0 HA ILE A 80 12.169 -1.857 3.147 1.00 0.00 H new ATOM 0 HB ILE A 80 12.104 -3.966 1.920 1.00 0.00 H new ATOM 0 HG12 ILE A 80 9.681 -4.518 0.921 1.00 0.00 H new ATOM 0 HG13 ILE A 80 9.729 -2.810 0.532 1.00 0.00 H new ATOM 0 HG21 ILE A 80 10.113 -4.948 3.075 1.00 0.00 H new ATOM 0 HG22 ILE A 80 11.039 -3.842 4.118 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.515 -3.299 3.377 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.539 -4.158 -1.342 1.00 0.00 H new ATOM 0 HD12 ILE A 80 11.846 -3.136 -0.700 1.00 0.00 H new ATOM 0 HD13 ILE A 80 11.798 -4.870 -0.305 1.00 0.00 H new ATOM 1264 N PRO A 81 13.851 -1.796 1.133 1.00 0.00 N ATOM 1265 CA PRO A 81 14.809 -1.410 0.090 1.00 0.00 C ATOM 1266 C PRO A 81 14.592 -2.201 -1.213 1.00 0.00 C ATOM 1267 O PRO A 81 14.233 -3.375 -1.187 1.00 0.00 O ATOM 1268 CB PRO A 81 16.158 -1.786 0.712 1.00 0.00 C ATOM 1269 CG PRO A 81 15.836 -2.922 1.614 1.00 0.00 C ATOM 1270 CD PRO A 81 14.499 -2.594 2.203 1.00 0.00 C ATOM 0 HA PRO A 81 14.720 -0.360 -0.188 1.00 0.00 H new ATOM 0 HB2 PRO A 81 16.882 -2.075 -0.050 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.590 -0.950 1.262 1.00 0.00 H new ATOM 0 HG2 PRO A 81 15.803 -3.863 1.065 1.00 0.00 H new ATOM 0 HG3 PRO A 81 16.592 -3.033 2.392 1.00 0.00 H new ATOM 0 HD2 PRO A 81 13.929 -3.493 2.437 1.00 0.00 H new ATOM 0 HD3 PRO A 81 14.594 -2.027 3.129 1.00 0.00 H new